2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid

C9H6N2O2S — CID 96617507

IUPAC2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cscn2)c1
InChIInChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13)
InChIKeyVHUXANZSWRXPQK-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.90
Rot. Bonds2

About 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid

2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 96617507) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid
PubChem CID96617507
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cscn2)c1
InChIInChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13)
InChIKeyVHUXANZSWRXPQK-UHFFFAOYSA-N
XLogP1.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid (CID 96617507) is 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cscn2)c1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is VHUXANZSWRXPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13).
What are the key properties of 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 206.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 96617507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).